2B17
Specific binding of non-steroidal anti-inflammatory drugs (NSAIDs) to phospholipase A2: Crystal structure of the complex formed between phospholipase A2 and diclofenac at 2.7 A resolution:
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 283 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-03-21 |
| Detector | MACSCIENCE |
| Wavelength(s) | 1.41 |
| Spacegroup name | P 43 |
| Unit cell lengths | 53.050, 53.050, 48.430 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.760 - 2.710 |
| R-factor | 0.192 |
| Rwork | 0.192 |
| R-free | 0.21100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (0.9) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.760 | 2.760 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Number of reflections | 3288 | |
| Completeness [%] | 100.0 | 95.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | ammonium sulphate and PEG 4000, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
